
 CHEMBL3596487

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3596487

>  <PubChem CID>
58993634

>  <Formula>
C27H21F7N2O

>  <Molecular Weight>
522.467000

>  <IUPAC Name>
2,3,5,6-tetrafluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=C(C(=C(C(=C3F)F)C#N)F)F)C(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCCC1(COCC2=CC(=CC(=C2)C3=C(C(=C(C(=C3F)F)C#N)F)F)C(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H21F7N2O/c28-22-20(13-35)23(29)25(31)21(24(22)30)17-10-16(11-19(12-17)27(32,33)34)14-37-15-26(6-8-36-9-7-26)18-4-2-1-3-5-18/h1-5,10-12,36H,6-9,14-15H2

>  <InChI Key>
UIHAXJYWFWQPHO-UHFFFAOYSA-N

